| SpectraBase Compound ID | 4wWrsZWwYNm |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-16-12(14)7-8-13(15)17-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3 |
| InChIKey | IPVVWBUVAVBYNL-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IYU5sGwifhd |
|---|---|
| Name | Succinic acid, ethyl 3-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-3-16-12(14)7-8-13(15)17-11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3 |
| InChIKey | IPVVWBUVAVBYNL-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | CC1=CC(OC(CCC(=O)OCC)=O)=CC=C1 |